N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide

C21H31N3O — CID 102253633

IUPACN-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cncc(NCCC2=CCCCC2)c1
InChIInChI=1S/C21H31N3O/c25-21(24-19-10-6-1-2-7-11-19)18-14-20(16-22-15-18)23-13-12-17-8-4-3-5-9-17/h8,14-16,19,23H,1-7,9-13H2,(H,24,25)
InChIKeyXCTCYIJJFCMEJW-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.84
Rot. Bonds6

About N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide

N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide (PubChem CID 102253633) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
PubChem CID102253633
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cncc(NCCC2=CCCCC2)c1
InChIInChI=1S/C21H31N3O/c25-21(24-19-10-6-1-2-7-11-19)18-14-20(16-22-15-18)23-13-12-17-8-4-3-5-9-17/h8,14-16,19,23H,1-7,9-13H2,(H,24,25)
InChIKeyXCTCYIJJFCMEJW-UHFFFAOYSA-N
XLogP4.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227546
5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109227622
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109225120
N-[(4-chlorophenyl)methyl]-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227516
5-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109227601
4-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991
N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109227417
5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179842
N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide
CID 109239498
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275561
N-cyclopentyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109225918
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide (CID 102253633) is N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide is O=C(NC1CCCCCC1)c1cncc(NCCC2=CCCCC2)c1.
What is the InChIKey of N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
The InChIKey is XCTCYIJJFCMEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c25-21(24-19-10-6-1-2-7-11-19)18-14-20(16-22-15-18)23-13-12-17-8-4-3-5-9-17/h8,14-16,19,23H,1-7,9-13H2,(H,24,25).
What are the key properties of N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 102253633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).